3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine

C17H24N2S — CID 63238783

IUPAC3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCc1csc(CCNC(CC(C)C)c2ccccc2)n1
InChIInChI=1S/C17H24N2S/c1-13(2)11-16(15-7-5-4-6-8-15)18-10-9-17-19-14(3)12-20-17/h4-8,12-13,16,18H,9-11H2,1-3H3
InChIKeyVPDJDDVRLOHJFB-UHFFFAOYSA-N
MW288.46 g/mol
LogP4.37
Rot. Bonds7

About 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine

3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine (PubChem CID 63238783) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
PubChem CID63238783
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine
SMILESCc1csc(CCNC(CC(C)C)c2ccccc2)n1
InChIInChI=1S/C17H24N2S/c1-13(2)11-16(15-7-5-4-6-8-15)18-10-9-17-19-14(3)12-20-17/h4-8,12-13,16,18H,9-11H2,1-3H3
InChIKeyVPDJDDVRLOHJFB-UHFFFAOYSA-N
XLogP4.37
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylbutan-1-amine
CID 103729425
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutan-1-amine
CID 63242419
4-(4-methyl-1,3-thiazol-2-yl)-2-phenyl-N-propan-2-ylbutan-1-amine
CID 81024822
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
N,N-dimethyl-4-[1-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]aniline
CID 63238583
5-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]heptan-3-amine
CID 63238391
1-(3,4-difluorophenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238824
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 110007093
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]ethanamine
CID 63238411
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
3-methyl-1-phenyl-N-(2-pyridin-3-ylethyl)butan-1-amine
CID 60896076
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-phenylbutan-1-amine
CID 106394842

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine?
The IUPAC name of 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine (CID 63238783) is 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine is Cc1csc(CCNC(CC(C)C)c2ccccc2)n1.
What is the InChIKey of 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine?
The InChIKey is VPDJDDVRLOHJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-13(2)11-16(15-7-5-4-6-8-15)18-10-9-17-19-14(3)12-20-17/h4-8,12-13,16,18H,9-11H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine?
3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine has a molecular weight of 288.46 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-phenylbutan-1-amine is sourced from PubChem (CID 63238783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).